Geometry & MOs

Info

ID:	71349
PubChem CID:	48414666
Reduced:	FON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	15.81
Dipole, Da:	1.81
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations